构型一定的分子有无穷个构象,只有在围绕分子内单键旋转过程中,位于能量——旋转角度曲线上各极小值处的那些构象,称为构象异构体,简称异象体(conformer)。有时亦称旋转异构体(rotation isomer)。例如,正丁烷的对位交叉式(Ⅰ)和邻位交叉式构象(Ⅲ)和(Ⅴ)是构象异构体。
它们叫做构象异构体,也叫做异象体。
They are said to be conformational isomers also called conformers.
用量子化学从头计算法研究了HCN、HNC分子与H原子和电子加成生成的H_2CN自由基异构体的最低总能量构象和净电荷分布。
Using ab initio method, the minimum energy conformations and netcharge distribution have been studied for H_2CN radical isomers formed by addition ofa H atom (or an electron) to HCN (or HNC) molecule.
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